Geometry & MOs

Info

ID:	349037
PubChem CID:	127274763
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	0.64
IP(EA), eV:	-8.92(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2CCN(CC2)CC3CC3

DOS

IR

Vibrations